6-chloro-N-(2-hydroxy-3-piperidin-1-ylpropoxy)-4-methylpyridine-3-carboximidoyl chloride

C15H21Cl2N3O2 — CID 171852943

IUPAC6-chloro-N-(2-hydroxy-3-piperidin-1-ylpropoxy)-4-methylpyridine-3-carboximidoyl chloride
SMILESCc1cc(Cl)ncc1C(Cl)=NOCC(O)CN1CCCCC1
InChIInChI=1S/C15H21Cl2N3O2/c1-11-7-14(16)18-8-13(11)15(17)19-22-10-12(21)9-20-5-3-2-4-6-20/h7-8,12,21H,2-6,9-10H2,1H3
InChIKeyKMBWLTWWXANTLZ-UHFFFAOYSA-N
MW346.26 g/mol
LogP2.81
Rot. Bonds6

About 6-chloro-N-(2-hydroxy-3-piperidin-1-ylpropoxy)-4-methylpyridine-3-carboximidoyl chloride

6-chloro-N-(2-hydroxy-3-piperidin-1-ylpropoxy)-4-methylpyridine-3-carboximidoyl chloride (PubChem CID 171852943) has the molecular formula C15H21Cl2N3O2 and a molecular weight of 346.26 g/mol. Its IUPAC name is 6-chloro-N-(2-hydroxy-3-piperidin-1-ylpropoxy)-4-methylpyridine-3-carboximidoyl chloride.

Molecular Properties

Compound Name6-chloro-N-(2-hydroxy-3-piperidin-1-ylpropoxy)-4-methylpyridine-3-carboximidoyl chloride
PubChem CID171852943
Molecular FormulaC15H21Cl2N3O2
Molecular Weight346.26 g/mol
Exact Mass345.10
IUPAC Name6-chloro-N-(2-hydroxy-3-piperidin-1-ylpropoxy)-4-methylpyridine-3-carboximidoyl chloride
SMILESCc1cc(Cl)ncc1C(Cl)=NOCC(O)CN1CCCCC1
InChIInChI=1S/C15H21Cl2N3O2/c1-11-7-14(16)18-8-13(11)15(17)19-22-10-12(21)9-20-5-3-2-4-6-20/h7-8,12,21H,2-6,9-10H2,1H3
InChIKeyKMBWLTWWXANTLZ-UHFFFAOYSA-N
XLogP2.81
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.26
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-(4-chloro-2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol
CID 7024718
(2Z)-N-(2-hydroxy-3-piperidin-1-ylpropoxy)thiophene-2-carboximidoyl chloride
CID 87474647
1-(azepan-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol
CID 4320215
but-2-enedioic acid;(3Z)-N-(2-hydroxy-3-piperidin-1-ylpropoxy)pyridine-3-carboximidoyl chloride
CID 87925320
(4Z)-N-[(2S)-2-hydroxy-3-piperidin-1-ylpropoxy]-4-methylpiperidine-4-carboximidoyl chloride
CID 172516437
1-(3,4-dimethylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 2881965
1-(4-chloro-3-methylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 2770406
(2R)-1-(4-chloro-3-methylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 737301
1-(2,4-dimethylphenoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride
CID 2770287
N-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]-1-oxidopyridin-1-ium-3-carboximidoyl chloride;dihydrochloride
CID 87879749
1-[1-(3-chloro-4-methylphenyl)pyrazol-3-yl]oxy-3-piperidin-1-ylpropan-2-ol
CID 67587874
N-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-phenylprop-2-enimidoyl chloride
CID 73432834

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-hydroxy-3-piperidin-1-ylpropoxy)-4-methylpyridine-3-carboximidoyl chloride?
The IUPAC name of 6-chloro-N-(2-hydroxy-3-piperidin-1-ylpropoxy)-4-methylpyridine-3-carboximidoyl chloride (CID 171852943) is 6-chloro-N-(2-hydroxy-3-piperidin-1-ylpropoxy)-4-methylpyridine-3-carboximidoyl chloride.
What is the SMILES notation for 6-chloro-N-(2-hydroxy-3-piperidin-1-ylpropoxy)-4-methylpyridine-3-carboximidoyl chloride?
The canonical SMILES for 6-chloro-N-(2-hydroxy-3-piperidin-1-ylpropoxy)-4-methylpyridine-3-carboximidoyl chloride is Cc1cc(Cl)ncc1C(Cl)=NOCC(O)CN1CCCCC1.
What is the InChIKey of 6-chloro-N-(2-hydroxy-3-piperidin-1-ylpropoxy)-4-methylpyridine-3-carboximidoyl chloride?
The InChIKey is KMBWLTWWXANTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N3O2/c1-11-7-14(16)18-8-13(11)15(17)19-22-10-12(21)9-20-5-3-2-4-6-20/h7-8,12,21H,2-6,9-10H2,1H3.
What are the key properties of 6-chloro-N-(2-hydroxy-3-piperidin-1-ylpropoxy)-4-methylpyridine-3-carboximidoyl chloride?
6-chloro-N-(2-hydroxy-3-piperidin-1-ylpropoxy)-4-methylpyridine-3-carboximidoyl chloride has a molecular weight of 346.26 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-hydroxy-3-piperidin-1-ylpropoxy)-4-methylpyridine-3-carboximidoyl chloride is sourced from PubChem (CID 171852943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).